1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide

C22H20N4O — CID 137375532

IUPAC1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(C)c(-n2ncc(C(=O)Nc3ccc4ccccc4n3)c2C)c1
InChIInChI=1S/C22H20N4O/c1-14-8-9-15(2)20(12-14)26-16(3)18(13-23-26)22(27)25-21-11-10-17-6-4-5-7-19(17)24-21/h4-13H,1-3H3,(H,24,25,27)
InChIKeyNDDOCIPCSPAWPC-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.60
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide

1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 137375532) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID137375532
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(C)c(-n2ncc(C(=O)Nc3ccc4ccccc4n3)c2C)c1
InChIInChI=1S/C22H20N4O/c1-14-8-9-15(2)20(12-14)26-16(3)18(13-23-26)22(27)25-21-11-10-17-6-4-5-7-19(17)24-21/h4-13H,1-3H3,(H,24,25,27)
InChIKeyNDDOCIPCSPAWPC-UHFFFAOYSA-N
XLogP4.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Dihydro-1-(5-methyl-1-phenylpyrazol4-yl carbonyl)-8-(4methylpiperazin-1-yl)pyrrolo[3,2-g]isoquinoline
CID 9955522
1-(2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375517
1-(2-Bromophenyl)-5-methyl-N-(quinolin-2-yl)-1H-pyrazole-4-carboxamide
CID 137375527
1-(3-Fluorophenyl)-3-(3-((7-(1-methyl-1H-pyrazol-4-yl)quinazolin-4-yl)amino)phenyl)urea
CID 154573766
2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 936600
3-({4-[(6-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138045
1-(3-Fluorophenyl)-3-[4-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]urea
CID 162666547
N-(1-ethyl-7-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide
CID 663834
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-3-carboxamide
CID 664677
N-(1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide
CID 665225
N-(5-Methyl-1-quinolin-5-yl-1H-pyrazole-4-carbonyl)-guanidine
CID 22267755
N,4-dimethyl-3-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
CID 23400207

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide (CID 137375532) is 1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide is Cc1ccc(C)c(-n2ncc(C(=O)Nc3ccc4ccccc4n3)c2C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is NDDOCIPCSPAWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-14-8-9-15(2)20(12-14)26-16(3)18(13-23-26)22(27)25-21-11-10-17-6-4-5-7-19(17)24-21/h4-13H,1-3H3,(H,24,25,27).
What are the key properties of 1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 137375532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).